Inorganic Solid Phases

Na22[(BiW9O33)4(WO3){Bi63-O)42-OH)3}(Pr3(H2O)6CO3)]·95H2O (Na22Pr3W37Bi10[CO3]O139[OH]3[H2O]101) Crystal Structure

General Information

  • Phase Label(s): Na22Pr3W37Bi10[CO3]O139[OH]3[H2O]101
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS972
  • Space Group: 12
  • Phase Prototype: Na22Pr3W37Bi10[CO3]O139[OH]3[H2O]101
  • Measurement Detail(s): automatic diffractometer; 15542 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1110 variables; 13668 reflections; I > 2σ(I), R = 0.0518; wR = 0.1213
  • Sample Detail(s): sample prepared from Na12(Bi2W22O74[OH]2)[H2O]44, PrCl3[H2O]7, Na9[BiW9O33][H2O]16, Na2CO3, inductive coupled plasma method; 14.73 wt.% Bi, 49.02 wt.% W, 2.98 wt.% Pr, 3.66 wt.% Na, single crystal (determination of cell parameters), single crystal, 0.096×0.110×0.203 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na22Pr3W37Bi10[CO3]O139[OH]3[H2O]101
  • Alphabetic Formula: Bi10[CO3][H2O]101Na22O139[OH]3Pr3W37
  • Published Formula: Na22[(BiW9O33)4(WO3){Bi63-O)42-OH)3}(Pr3(H2O)6CO3)]·95H2O
  • Refined Formula: Bi10CH36Na6O169Pr3W37
  • Wyckoff Sequence: 12,j105i33
  • Z Formula Units: 4
  • Density: ρ = 4.02 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1021528

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied